5N4T
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![BU of 5n4t by Molmil](/molmil-images/mine/5n4t) | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4) | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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1VWN
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![BU of 1vwn by Molmil](/molmil-images/mine/1vwn) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 4.8 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
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1VRN
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![BU of 1vrn by Molmil](/molmil-images/mine/1vrn) | PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baxter, R.H.G, Seagle, B.-L, Norris, J.R. | Deposit date: | 2005-02-23 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cryogenic structure of the photosynthetic reaction center of Blastochloris viridis in the light and dark. Acta Crystallogr.,Sect.D, 61, 2005
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4URN
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![BU of 4urn by Molmil](/molmil-images/mine/4urn) | Crystal Structure of Staph ParE 24kDa in complex with Novobiocin | Descriptor: | DNA TOPOISOMERASE IV, B SUBUNIT, NOVOBIOCIN | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | Deposit date: | 2014-07-01 | Release date: | 2014-07-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
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4UUR
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![BU of 4uur by Molmil](/molmil-images/mine/4uur) | Cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN | Authors: | Pesce, A, Giordano, D, Riccio, A, Nardini, M, Caldelli, E, Howes, B, Bustamante, J.P, Boechi, L, Estrin, D, di Prisco, G, Smulevich, G, Verde, C, Bolognesi, M. | Deposit date: | 2014-07-31 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Flexibility of the Heme Cavity in the Cold-Adapted Truncated Hemoglobin from the Antarctic Marine Bacterium Pseudoalteromonas Haloplanktis Tac125. FEBS J., 282, 2015
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4W2O
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4UZE
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1VWD
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![BU of 1vwd by Molmil](/molmil-images/mine/1vwd) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 3.0 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
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1VWP
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1VWC
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![BU of 1vwc by Molmil](/molmil-images/mine/1vwc) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 2.0 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
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5NC5
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![BU of 5nc5 by Molmil](/molmil-images/mine/5nc5) | |
1VWG
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1W76
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![BU of 1w76 by Molmil](/molmil-images/mine/1w76) | Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-30 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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1VWR
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1VKX
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![BU of 1vkx by Molmil](/molmil-images/mine/1vkx) | CRYSTAL STRUCTURE OF THE NFKB P50/P65 HETERODIMER COMPLEXED TO THE IMMUNOGLOBULIN KB DNA | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*C)-3'), PROTEIN (NF-KAPPA B P50 SUBUNIT), ... | Authors: | Chen, F, Huang, D.B, Ghosh, G. | Deposit date: | 1997-09-17 | Release date: | 1998-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of p50/p65 heterodimer of transcription factor NF-kappaB bound to DNA. Nature, 391, 1998
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4W5A
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![BU of 4w5a by Molmil](/molmil-images/mine/4w5a) | Complex structure of ATRX ADD bound to H3K9me3S10ph peptide | Descriptor: | Peptide from Histone H3.3, Transcriptional regulator ATRX, ZINC ION | Authors: | Zhao, D, Xiang, B, Li, H. | Deposit date: | 2014-08-17 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ATRX tolerates activity-dependent histone H3 methyl/phos switching to maintain repetitive element silencing in neurons Proc.Natl.Acad.Sci.USA, 112, 2015
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4UYN
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![BU of 4uyn by Molmil](/molmil-images/mine/4uyn) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4V5B
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![BU of 4v5b by Molmil](/molmil-images/mine/4v5b) | Structure of PDF binding helix in complex with the ribosome. | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N. | Deposit date: | 2007-11-22 | Release date: | 2014-07-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing. Nature, 452, 2008
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5NH5
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7MDT
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![BU of 7mdt by Molmil](/molmil-images/mine/7mdt) | BG505 SOSIP.v5.2 in complex with the monoclonal antibody Rh4O9.8 (as Fab fragment) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Rh4O9.8 monoclonal antibody Heavy Chain, ... | Authors: | Antanasijevic, A, Ozorowski, G, Nogal, B, Ward, A.B. | Deposit date: | 2021-04-06 | Release date: | 2022-01-26 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | From structure to sequence: Antibody discovery using cryoEM. Sci Adv, 8, 2022
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1W2Z
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![BU of 1w2z by Molmil](/molmil-images/mine/1w2z) | PSAO and Xenon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | Authors: | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-07-11 | Release date: | 2004-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases. J.Mol.Biol., 344, 2004
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1VKG
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![BU of 1vkg by Molmil](/molmil-images/mine/1vkg) | Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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5NN4
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![BU of 5nn4 by Molmil](/molmil-images/mine/5nn4) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-acetyl-cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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5N15
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![BU of 5n15 by Molmil](/molmil-images/mine/5n15) | First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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